5-methoxyspiro[5H-1,3-thiazole-4,9'-xanthene]-2-amine

C16H14N2O2S — CID 123624745

IUPAC5-methoxyspiro[5H-1,3-thiazole-4,9'-xanthene]-2-amine
SMILESCOC1SC(N)=NC12c1ccccc1Oc1ccccc12
InChIInChI=1S/C16H14N2O2S/c1-19-14-16(18-15(17)21-14)10-6-2-4-8-12(10)20-13-9-5-3-7-11(13)16/h2-9,14H,1H3,(H2,17,18)
InChIKeyBLNJWXADBBXEHD-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.07
Rot. Bonds1

About 5-methoxyspiro[5H-1,3-thiazole-4,9'-xanthene]-2-amine

5-methoxyspiro[5H-1,3-thiazole-4,9'-xanthene]-2-amine (PubChem CID 123624745) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 5-methoxyspiro[5H-1,3-thiazole-4,9'-xanthene]-2-amine.

Molecular Properties

Compound Name5-methoxyspiro[5H-1,3-thiazole-4,9'-xanthene]-2-amine
PubChem CID123624745
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name5-methoxyspiro[5H-1,3-thiazole-4,9'-xanthene]-2-amine
SMILESCOC1SC(N)=NC12c1ccccc1Oc1ccccc12
InChIInChI=1S/C16H14N2O2S/c1-19-14-16(18-15(17)21-14)10-6-2-4-8-12(10)20-13-9-5-3-7-11(13)16/h2-9,14H,1H3,(H2,17,18)
InChIKeyBLNJWXADBBXEHD-UHFFFAOYSA-N
XLogP3.07
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxyspiro[5H-1,3-thiazole-4,9'-xanthene]-2-amine?
The IUPAC name of 5-methoxyspiro[5H-1,3-thiazole-4,9'-xanthene]-2-amine (CID 123624745) is 5-methoxyspiro[5H-1,3-thiazole-4,9'-xanthene]-2-amine.
What is the SMILES notation for 5-methoxyspiro[5H-1,3-thiazole-4,9'-xanthene]-2-amine?
The canonical SMILES for 5-methoxyspiro[5H-1,3-thiazole-4,9'-xanthene]-2-amine is COC1SC(N)=NC12c1ccccc1Oc1ccccc12.
What is the InChIKey of 5-methoxyspiro[5H-1,3-thiazole-4,9'-xanthene]-2-amine?
The InChIKey is BLNJWXADBBXEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-19-14-16(18-15(17)21-14)10-6-2-4-8-12(10)20-13-9-5-3-7-11(13)16/h2-9,14H,1H3,(H2,17,18).
What are the key properties of 5-methoxyspiro[5H-1,3-thiazole-4,9'-xanthene]-2-amine?
5-methoxyspiro[5H-1,3-thiazole-4,9'-xanthene]-2-amine has a molecular weight of 298.37 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxyspiro[5H-1,3-thiazole-4,9'-xanthene]-2-amine is sourced from PubChem (CID 123624745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).